2-[[4-azanyl-5-[(3-bromanylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[(3-bromanylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C14H18BrN5O2S MolecularWeight: 400.29402

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1N)COC2=CC(=CC=C2)Br

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1N)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H18BrN5O2S/c1-2-6-17-13(21)9-23-14-19-18-12(20(14)16)8-22-11-5-3-4-10(15)7-11/h3-5,7H,2,6,8-9,16H2,1H3,(H,17,21)